Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Talarozole

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Talarozole

EINECS N/A
CAS No. 870093-23-5 Density 1.263 g/cm3
PSA 83.87000 LogP 5.73000
Solubility N/A Melting Point N/A
Formula C21H23N5S Boiling Point 561.016 °C at 760 mmHg
Molecular Weight 377.513 Flash Point 293.092 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 870093-23-5 (Talarozole) Hazard Symbols N/A
Synonyms

(R)-Talarozole;N-[4-[(1R)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-2-benzothiazolamine;Talarozole;

 

Talarozole Specification

The systematic name of Talarozole is N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine. With the CAS registry number 870093-23-5, it is also named as 2-Benzothiazolamine,N-[4-[(1R)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-. In addition, its molecular formula is C21H23N5S and molecular weight is 377.51.

The other characteristics of Talarozole can be summarized as: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4855; (6)ACD/BCF (pH 7.4): 4946; (7)ACD/KOC (pH 5.5): 15059; (8)ACD/KOC (pH 7.4): 15344; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 83.87 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 112.746 cm3; (15)Molar Volume: 298.875 cm3; (16)Polarizability: 44.696×10-24cm3; (17)Surface Tension: 49.715 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 293.092 °C; (20)Enthalpy of Vaporization: 84.374 kJ/mol; (21)Boiling Point: 561.016 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n1c4ccccc4sc1Nc2ccc(cc2)C(n3ncnc3)C(CC)CC
(2)InChI: InChI=1/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
(3)InChIKey: SNFYYXUGUBUECJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
(5)Std. InChIKey: SNFYYXUGUBUECJ-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 870093-23-5